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ETHYL5-BROMO-3-HYDROXYBENZOATE

ETHYL5-BROMO-3-HYDROXYBENZOATE structure

CAS No:
870673-35-1
Formula:
C9H9BrO3
Chemical Name:
ETHYL5-BROMO-3-HYDROXYBENZOATE
Synonyms:
ETHYL 5-BROMO-3-HYDROXYBENZOATE;Benzoic acid,3-bromo-5-hydroxy-,ethyl ester;3-BROMO-5-HYDROXY-BENZOIC ACID ETHYL ESTER

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ETHYL5-BROMO-3-HYDROXYBENZOATE Basic Attributes

Molecular Weight：

245.07

Exact Mass：

243.97351

DSSTox ID：

DTXSID00470946

Characteristics

PSA：

46.53000

XLogP3：

2.33140

Density：

1.546±0.06 g/cm3

Melting Point：

96 °C(Solv: heptane (142-82-5))

Boiling Point：

342.0±22.0 °C(Predicted)

PKA：

8.23±0.10

Computed Properties

Molecular Weight:245.07
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:243.97351
Monoisotopic Mass:243.97351
Topological Polar Surface Area:46.5
Heavy Atom Count:13
Complexity:184
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ETHYL5-BROMO-3-HYDROXYBENZOATE

Basic Attributes
Characteristics
Computed Properties

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